1-benzyl-5-ethoxypyrrolidin-2-one

C13H17NO2 — CID 3065698

IUPAC1-benzyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-16-13-9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyVEWOYXQXQHNACI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds4

About 1-benzyl-5-ethoxypyrrolidin-2-one

1-benzyl-5-ethoxypyrrolidin-2-one (PubChem CID 3065698) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzyl-5-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-ethoxypyrrolidin-2-one
PubChem CID3065698
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-16-13-9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyVEWOYXQXQHNACI-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-ethoxypyrrolidin-2-one (CID 3065698) is 1-benzyl-5-ethoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-ethoxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-ethoxypyrrolidin-2-one is CCOC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethoxypyrrolidin-2-one?
The InChIKey is VEWOYXQXQHNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13-9-8-12(15)14(13)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 1-benzyl-5-ethoxypyrrolidin-2-one?
1-benzyl-5-ethoxypyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxypyrrolidin-2-one is sourced from PubChem (CID 3065698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).